1,1-Bis(methylthio)-2-nitroethylene

C₄H₇NO₂S₂CAS 13623-94-4165.22 g/mol

Open in Covalent MOL file

Alkene Nitro Sulfide

Properties

Molecular formula: C₄H₇NO₂S₂
Molar mass: 165.22 g/mol
Exact mass: 164.9918 Da
Melting point: 125–126 °C
logP: 1.79Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

13623-94-4

SMILES

CSC(=C[N+](=O)[O-])SC

InChIKey

NXGHEDHQXXXTTP-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

Ethene, 1,1-bis(methylthio)-2-nitro-
Ketene, nitro-, dimethyl mercaptole
Ethylene, 1,1-bis(methylthio)-2-nitro-
1,1-Bis(methylthio)-2-nitroethene
2,2-Bis(methylthio)-1-nitroethylene
1-Nitro-2,2-bis(methylthio)ethylene
1-Nitro-2,2-bis(methylmercapto)ethylene
1-Nitro-2,2-bis(methylthio)ethene
1,1-Bis(methylsulfanyl)-2-nitroethene
NSC 241513
(2-Nitroethene-1,1-diyl)bis(methylsulfane)

Work with 1,1-Bis(methylthio)-2-nitroethylene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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